Science China Technological Sciences

, Volume 62, Issue 11, pp 1916–1929 | Cite as

Molecular dynamics simulation of chip formation mechanism in single-crystal nickel nanomachining

  • ZongXiao ZhuEmail author
  • Bin Peng
  • RuiCheng Feng
  • LinJun Wang
  • Shi Jiao
  • Yun Dong


Nanometric machining simulations of single-crystal nickel were performed using molecular dynamics. The atomic displacement vector method was applied to study the relationship between defect displacement vectors and the crystal slip system during different deformation stages as well as the displacement trend characteristics of workpiece atoms under different deformations. The arrangement characteristics of atoms in the machining region, relative density of atoms at different machining zones, and proportion of different atoms were investigated in detail. In addition, the atom shunt phenomenon was observed by studying the displacement trend of the atoms adjacent to the machining tool, and a method for determining the location of the shunt point was determined. Moreover, direct evidence of crystal transition caused by temperature was obtained. The effects of machining depth on workpiece damage, surface flatness, and workpiece temperature were investigated. With increasing machining depth, the chip gradually changed from spherical to strip-shaped, the damage depth of workpiece gradually increased, but the atomic arrangement of the machined surface became neater. Simultaneously, the dislocation reaction of subsurface defects was studied, and the rationality of the reaction was analyzed using an energy criterion. Furthermore, the overall temperature of the workpiece increased, but the temperature of the chip part gradually decreased.


molecular dynamics simulation single crystal nickel atomic displacement vector crystal slip system shunt point 


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Copyright information

© Science China Press and Springer-Verlag GmbH Germany, part of Springer Nature 2019

Authors and Affiliations

  • ZongXiao Zhu
    • 1
    Email author
  • Bin Peng
    • 1
  • RuiCheng Feng
    • 1
  • LinJun Wang
    • 1
  • Shi Jiao
    • 1
  • Yun Dong
    • 1
  1. 1.School of Mechanical and Electronical EngineeringLanzhou University of TechnologyLanzhouChina

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